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1PLG
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BU of 1plg by Molmil
EVIDENCE FOR THE EXTENDED HELICAL NATURE OF POLYSACCHARIDE EPITOPES. THE 2.8 ANGSTROMS RESOLUTION STRUCTURE AND THERMODYNAMICS OF LIGAND BINDING OF AN ANTIGEN BINDING FRAGMENT SPECIFIC FOR ALPHA-(2->8)-POLYSIALIC ACID
Descriptor: IGG2A=KAPPA=
Authors:Evans, S.V, Sigurskjold, B.W, Jennings, H.J, Brisson, J.-R, Tse, W.C, To, R, Altman, E, Frosch, M, Weisgerber, C, Kratzin, H, Klebert, S, Vaesen, M, Bitter-Suermann, D, Rose, D.R, Young, N.M, Bundle, D.R.
Deposit date:1995-04-24
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evidence for the extended helical nature of polysaccharide epitopes. The 2.8 A resolution structure and thermodynamics of ligand binding of an antigen binding fragment specific for alpha-(2-->8)-polysialic acid.
Biochemistry, 34, 1995
4JQI
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BU of 4jqi by Molmil
Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide
Descriptor: 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ...
Authors:Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J.
Deposit date:2013-03-20
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide.
Nature, 497, 2013
7TXT
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BU of 7txt by Molmil
Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl
Descriptor: 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ...
Authors:Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G.
Deposit date:2022-02-09
Release date:2023-03-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022

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